Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ka3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N GLU 2.A O no hydrogen 3.189 N/A THR 5.A OG1 GLU 2.A O no hydrogen 2.575 N/A VAL 6.A N PRO 3.A O no hydrogen 3.266 N/A HIS 9.A NE2 GLU 191.A O no hydrogen 3.117 N/A LYS 10.A N PHE 195.A O no hydrogen 2.797 N/A LYS 11.A N HIS 9.A ND1 no hydrogen 3.390 N/A TRP 16.A N GLN 13.A O no hydrogen 3.416 N/A TYR 19.A N VAL 235.A O no hydrogen 2.783 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 3.162 N/A THR 23.A N ASN 20.A O no hydrogen 3.272 N/A MET 24.A N ASN 20.A O no hydrogen 2.811 N/A ARG 25.A NE ASP 270.A OD2 no hydrogen 3.110 N/A ARG 25.A NH1 GLU 64.A OE2 no hydrogen 3.111 N/A ARG 25.A NH2 GLU 64.A OE1 no hydrogen 3.336 N/A ARG 25.A NH2 ASP 270.A OD2 no hydrogen 3.473 N/A THR 33.A N PRO 30.A O no hydrogen 2.932 N/A THR 33.A OG1 PRO 30.A O no hydrogen 2.848 N/A CYS 35.A SG THR 33.A O no hydrogen 3.421 N/A VAL 36.A N LEU 289.A O no hydrogen 2.847 N/A LYS 37.A N ASP 67.A OD2 no hydrogen 2.964 N/A VAL 38.A N LEU 287.A O no hydrogen 2.920 N/A MET 39.A N ILE 68.A O no hydrogen 2.975 N/A THR 40.A N ILE 285.A O no hydrogen 2.750 N/A THR 40.A OG1 THR 182.A OG1 no hydrogen 2.567 N/A TRP 41.A N CYS 70.A O no hydrogen 3.078 N/A TRP 41.A NE1 HIS 282.A O no hydrogen 3.248 N/A ASN 42.A ND2 GLU 73.A OE1 no hydrogen 2.828 N/A ASN 42.A ND2 ASP 184.A OD2 no hydrogen 3.143 N/A VAL 43.A N GLN 72.A O no hydrogen 3.111 N/A ASN 44.A N ASN 42.A OD1 no hydrogen 3.049 N/A GLY 45.A N GLU 73.A O no hydrogen 2.710 N/A LEU 46.A N THR 74.A O no hydrogen 2.896 N/A ARG 47.A NH2 LYS 75.A O no hydrogen 2.749 N/A LEU 49.A N GLY 45.A O no hydrogen 2.944 N/A LEU 50.A N LEU 46.A O no hydrogen 3.079 N/A LYS 51.A N ARG 47.A O no hydrogen 3.199 N/A PHE 52.A N GLY 48.A O no hydrogen 3.097 N/A GLU 53.A N LEU 49.A O no hydrogen 2.831 N/A SER 54.A OG LEU 50.A O no hydrogen 3.383 N/A PHE 55.A N GLU 53.A OE1 no hydrogen 3.214 N/A SER 56.A OG GLU 53.A O no hydrogen 2.668 N/A GLN 59.A N PHE 55.A O no hydrogen 2.912 N/A LEU 60.A N ALA 57.A O no hydrogen 3.173 N/A ALA 61.A N ALA 57.A O no hydrogen 3.268 N/A GLN 62.A N LEU 58.A O no hydrogen 2.839 N/A ARG 63.A N LEU 60.A O no hydrogen 3.257 N/A ARG 63.A NH1 ASP 276.A OD1 no hydrogen 3.066 N/A ARG 63.A NH2 ASP 276.A OD1 no hydrogen 3.368 N/A GLU 64.A N LEU 60.A O no hydrogen 2.872 N/A ASN 65.A N ALA 61.A O no hydrogen 3.015 N/A ASP 67.A N LYS 37.A O no hydrogen 2.807 N/A ILE 68.A N LYS 37.A O no hydrogen 3.171 N/A LEU 69.A N ILE 112.A O no hydrogen 2.706 N/A CYS 70.A N MET 39.A O no hydrogen 2.747 N/A LEU 71.A N ALA 110.A O no hydrogen 2.974 N/A GLN 72.A N TRP 41.A O no hydrogen 3.320 N/A GLN 72.A NE2 ASN 142.A OD1 no hydrogen 2.271 N/A THR 74.A N GLY 108.A O no hydrogen 2.956 N/A LYS 75.A N SER 107.A O no hydrogen 2.746 N/A LYS 79.A NZ ASP 80.A OD1 no hydrogen 3.468 N/A LYS 79.A NZ ASP 80.A OD2 no hydrogen 3.562 N/A ASP 80.A N GLN 77.A O no hydrogen 2.974 N/A ILE 84.A N ASP 80.A O no hydrogen 3.423 N/A LYS 85.A N VAL 81.A O no hydrogen 2.664 N/A LYS 86.A NZ GLU 82.A O no hydrogen 3.267 N/A LYS 86.A NZ GLU 82.A OE1 no hydrogen 2.576 N/A THR 87.A N ILE 84.A O no hydrogen 3.309 N/A THR 87.A OG1 GLU 83.A O no hydrogen 3.259 N/A LEU 88.A N ILE 84.A O no hydrogen 3.176 N/A TYR 92.A OH PHE 66.A O no hydrogen 2.910 N/A HIS 94.A N SER 113.A O no hydrogen 3.169 N/A PHE 96.A N ILE 111.A O no hydrogen 2.791 N/A TRP 97.A NE1 SER 95.A OG no hydrogen 3.027 N/A SER 98.A N THR 109.A O no hydrogen 3.347 N/A CYS 99.A SG GLN 77.A O no hydrogen 3.383 N/A SER 100.A OG LYS 103.A O no hydrogen 2.872 N/A VAL 101.A N THR 126.A O no hydrogen 2.993 N/A SER 102.A OG THR 126.A O no hydrogen 3.526 N/A SER 107.A OG GLU 127.A O no hydrogen 2.902 N/A THR 109.A N SER 98.A O no hydrogen 3.111 N/A THR 109.A OG1 GLY 128.A O no hydrogen 3.289 N/A ALA 110.A N LEU 71.A O no hydrogen 3.170 N/A ILE 111.A N PHE 96.A O no hydrogen 2.960 N/A ILE 112.A N LEU 69.A O no hydrogen 2.807 N/A SER 113.A N HIS 94.A O no hydrogen 2.739 N/A SER 113.A OG ILE 115.A O no hydrogen 2.960 N/A ARG 114.A N ASP 67.A O no hydrogen 3.042 N/A ARG 114.A NE ASP 67.A OD1 no hydrogen 2.618 N/A ARG 114.A NH1 ASN 65.A OD1 no hydrogen 3.570 N/A ARG 114.A NH2 ASN 65.A OD1 no hydrogen 3.206 N/A ARG 114.A NH2 ASP 67.A OD1 no hydrogen 3.015 N/A ILE 115.A N SER 113.A OG no hydrogen 2.986 N/A LEU 118.A N GLU 134.A O no hydrogen 2.834 N/A SER 119.A OG GLU 134.A OE1 no hydrogen 2.878 N/A ARG 121.A N THR 132.A O no hydrogen 2.944 N/A GLY 123.A N ILE 130.A O no hydrogen 3.069 N/A ARG 129.A NE GLU 127.A OE1 no hydrogen 2.865 N/A ARG 129.A NH1 TYR 144.A O no hydrogen 3.327 N/A ARG 129.A NH2 GLU 127.A OE1 no hydrogen 3.064 N/A VAL 131.A N ASN 142.A O no hydrogen 3.166 N/A THR 132.A N ARG 121.A O no hydrogen 3.070 N/A THR 132.A OG1 HIS 169.A NE2 no hydrogen 2.735 N/A ALA 133.A N LEU 140.A O no hydrogen 2.992 N/A GLU 134.A N SER 119.A O no hydrogen 2.627 N/A PHE 135.A N PHE 138.A O no hydrogen 3.027 N/A TYR 139.A N PRO 178.A O no hydrogen 2.898 N/A LEU 140.A N ALA 133.A O no hydrogen 2.995 N/A ILE 141.A N VAL 180.A O no hydrogen 3.234 N/A ASN 142.A N VAL 131.A O no hydrogen 3.065 N/A ASN 142.A ND2 LEU 71.A O no hydrogen 2.718 N/A ASN 142.A ND2 ALA 110.A O no hydrogen 2.653 N/A THR 143.A N THR 182.A O no hydrogen 3.088 N/A TYR 144.A N ARG 129.A O no hydrogen 3.193 N/A VAL 145.A N ASP 184.A O no hydrogen 3.005 N/A ASN 147.A ND2 ASN 186.A OD1 no hydrogen 2.798 N/A SER 148.A OG GLU 210.A OE2 no hydrogen 3.188 N/A GLY 149.A N ASN 147.A OD1 no hydrogen 3.059 N/A LEU 152.A N GLY 149.A O no hydrogen 2.990 N/A ARG 154.A N SER 148.A O no hydrogen 3.368 N/A LEU 155.A N LEU 152.A O no hydrogen 3.377 N/A ARG 158.A N ARG 154.A O no hydrogen 2.819 N/A ARG 158.A NH2 ASN 186.A O no hydrogen 3.086 N/A ILE 159.A N LEU 155.A O no hydrogen 3.043 N/A GLU 160.A N SER 156.A O no hydrogen 2.996 N/A TRP 162.A N TYR 157.A O no hydrogen 3.014 N/A ASP 163.A N ARG 158.A O no hydrogen 2.995 N/A THR 165.A N GLU 161.A O no hydrogen 3.218 N/A THR 165.A OG1 GLU 161.A O no hydrogen 2.823 N/A THR 165.A OG1 TRP 162.A O no hydrogen 2.913 N/A LEU 166.A N TRP 162.A O no hydrogen 2.847 N/A SER 167.A N ASP 163.A O no hydrogen 3.274 N/A SER 167.A OG ASN 217.A O no hydrogen 2.550 N/A ASN 168.A N ARG 164.A O no hydrogen 3.124 N/A HIS 169.A N THR 165.A O no hydrogen 2.910 N/A HIS 169.A NE2 THR 132.A OG1 no hydrogen 2.735 N/A ILE 170.A N LEU 166.A O no hydrogen 3.111 N/A LYS 171.A N SER 167.A O no hydrogen 2.996 N/A GLU 172.A N ASN 168.A O no hydrogen 3.148 N/A LEU 173.A N ILE 170.A O no hydrogen 3.174 N/A GLU 174.A N ILE 170.A O no hydrogen 3.093 N/A LYS 175.A N LYS 171.A O no hydrogen 3.377 N/A SER 176.A N LEU 173.A O no hydrogen 2.973 N/A LYS 177.A N LEU 173.A O no hydrogen 3.090 N/A LYS 177.A NZ PHE 135.A O no hydrogen 2.821 N/A VAL 179.A N SER 261.A OG no hydrogen 3.250 N/A VAL 180.A N TYR 139.A O no hydrogen 2.984 N/A LEU 181.A N LEU 259.A O no hydrogen 2.636 N/A THR 182.A N ILE 141.A O no hydrogen 2.942 N/A THR 182.A OG1 THR 40.A OG1 no hydrogen 2.567 N/A THR 182.A OG1 TYR 257.A O no hydrogen 3.143 N/A ASP 184.A N THR 143.A O no hydrogen 2.820 N/A LEU 185.A N LEU 255.A O no hydrogen 2.909 N/A CYS 187.A SG GLY 205.A O no hydrogen 3.820 N/A CYS 187.A SG GLU 210.A O no hydrogen 3.759 N/A ALA 188.A N GLY 205.A O no hydrogen 2.960 N/A HIS 189.A N TYR 257.A OH no hydrogen 3.239 N/A GLU 190.A N ASP 193.A OD2 no hydrogen 2.945 N/A ASP 193.A N GLU 190.A O no hydrogen 3.022 N/A PHE 195.A N GLY 252.A O no hydrogen 3.312 N/A GLY 199.A N ASN 196.A OD1 no hydrogen 3.140 N/A ASN 200.A ND2 ASN 196.A O no hydrogen 3.032 N/A SER 203.A N ASN 200.A O no hydrogen 3.407 N/A SER 203.A OG ASN 200.A OD1 no hydrogen 3.108 N/A GLY 205.A N GLU 210.A OE1 no hydrogen 2.966 N/A PHE 206.A N SER 203.A O no hydrogen 3.310 N/A THR 207.A OG1 GLU 210.A OE1 no hydrogen 2.562 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.741 N/A GLU 210.A N THR 207.A OG1 no hydrogen 3.313 N/A ARG 211.A N THR 207.A O no hydrogen 3.013 N/A ARG 211.A NE HIS 189.A O no hydrogen 3.121 N/A GLN 212.A N ILE 208.A O no hydrogen 2.876 N/A SER 213.A N GLU 209.A O no hydrogen 3.320 N/A SER 213.A OG ASP 163.A OD2 no hydrogen 2.934 N/A SER 213.A OG GLU 209.A O no hydrogen 2.950 N/A SER 213.A OG GLU 210.A O no hydrogen 2.708 N/A PHE 214.A N GLU 210.A O no hydrogen 3.046 N/A GLY 215.A N GLN 212.A O no hydrogen 3.233 N/A ALA 216.A N GLN 212.A O no hydrogen 2.854 N/A ASN 217.A N SER 213.A O no hydrogen 2.987 N/A LEU 219.A N PHE 214.A O no hydrogen 3.172 N/A ASP 220.A N GLY 215.A O no hydrogen 2.553 N/A LYS 221.A N LEU 218.A O no hydrogen 3.175 N/A GLY 222.A N LEU 219.A O no hydrogen 3.182 N/A PHE 223.A N LEU 219.A O no hydrogen 3.142 N/A VAL 224.A N VAL 260.A O no hydrogen 2.962 N/A THR 226.A N PHE 258.A O no hydrogen 3.294 N/A THR 226.A OG1 PHE 258.A O no hydrogen 2.632 N/A THR 226.A OG1 SER 271.A OG no hydrogen 3.002 N/A ARG 228.A NH1 HIS 231.A O no hydrogen 2.808 N/A ARG 228.A NH1 VAL 234.A O no hydrogen 2.890 N/A ARG 228.A NH2 ASP 193.A OD1 no hydrogen 2.881 N/A LYS 229.A N ASP 225.A O no hydrogen 2.825 N/A GLN 230.A N THR 226.A O no hydrogen 2.691 N/A GLN 230.A NE2 ASP 270.A OD1 no hydrogen 2.933 N/A HIS 231.A N PHE 227.A O no hydrogen 2.927 N/A HIS 231.A NE2 MET 24.A O no hydrogen 3.023 N/A VAL 235.A N LYS 17.A O no hydrogen 2.932 N/A TYR 237.A OH ALA 8.A O no hydrogen 3.158 N/A THR 238.A N TRP 253.A O no hydrogen 2.745 N/A THR 238.A OG1 ASP 256.A OD1 no hydrogen 2.638 N/A TYR 239.A N TRP 253.A O no hydrogen 3.041 N/A TRP 240.A N ASP 281.A O no hydrogen 2.874 N/A GLY 245.A N TYR 242.A O no hydrogen 3.234 N/A GLY 246.A N GLY 241.A O no hydrogen 3.238 N/A ARG 247.A NH2 PRO 275.A O no hydrogen 2.886 N/A THR 249.A N GLY 246.A O no hydrogen 3.299 N/A THR 249.A OG1 GLY 246.A O no hydrogen 3.390 N/A ASN 250.A N ARG 247.A O no hydrogen 3.484 N/A ASN 250.A ND2 VAL 6.A O no hydrogen 3.020 N/A LYS 251.A N GLY 246.A O no hydrogen 2.951 N/A TRP 253.A N TYR 239.A O no hydrogen 3.083 N/A ARG 254.A N ASP 193.A O no hydrogen 3.147 N/A ARG 254.A NH2 ASP 225.A OD2 no hydrogen 2.445 N/A LEU 255.A N THR 238.A OG1 no hydrogen 3.205 N/A ASP 256.A N THR 238.A OG1 no hydrogen 3.206 N/A TYR 257.A N GLY 183.A O no hydrogen 3.252 N/A TYR 257.A OH CYS 187.A O no hydrogen 2.561 N/A LEU 259.A N LEU 181.A O no hydrogen 2.709 N/A VAL 260.A N VAL 224.A O no hydrogen 3.043 N/A SER 261.A N VAL 179.A O no hydrogen 3.094 N/A SER 261.A OG GLU 174.A OE1 no hydrogen 2.978 N/A SER 261.A OG VAL 179.A O no hydrogen 3.414 N/A GLN 262.A N GLY 222.A O no hydrogen 3.222 N/A ASN 267.A N ILE 264.A O no hydrogen 3.321 N/A VAL 268.A N ALA 265.A O no hydrogen 3.362 N/A HIS 269.A N ILE 288.A O no hydrogen 2.855 N/A ASP 270.A N ILE 288.A O no hydrogen 3.376 N/A SER 271.A N GLN 230.A OE1 no hydrogen 2.563 N/A SER 271.A OG THR 226.A OG1 no hydrogen 3.002 N/A TYR 272.A N GLY 286.A O no hydrogen 3.100 N/A LEU 274.A N PRO 284.A O no hydrogen 2.930 N/A ILE 277.A N LEU 274.A O no hydrogen 3.495 N/A SER 280.A OG ASN 42.A O no hydrogen 2.721 N/A SER 280.A OG ASP 281.A OD1 no hydrogen 2.908 N/A HIS 282.A N SER 280.A OG no hydrogen 3.412 N/A HIS 282.A ND1 ASP 256.A OD1 no hydrogen 3.117 N/A CYS 283.A N THR 238.A O no hydrogen 3.267 N/A CYS 283.A SG TYR 237.A O no hydrogen 3.889 N/A ILE 285.A N THR 40.A O no hydrogen 2.772 N/A GLY 286.A N TYR 272.A O no hydrogen 3.026 N/A LEU 287.A N VAL 38.A O no hydrogen 2.753 N/A ILE 288.A N ASP 270.A O no hydrogen 2.766 N/A LEU 289.A N VAL 36.A O no hydrogen 2.974 N/A LYS 290.A N ASN 267.A O no hydrogen 2.909 N/A LEU 291.A N LYS 34.A O no hydrogen 2.747 N/A